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NCID-ZINC01586450

 MMsINC code: MMs02242560
Type: Neutral
Formula: C8H14O6S
SMILES:   S(=O)(=O)(CCC(OC)=O)CCC(OC)=O
InChI:   InChI=1/C8H14O6S/c1-13-7(9)3-5-15(11,12)6-4-8(10)14-2/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.73917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.26 g/mol  logS: -0.28189  SlogP: -0.4726  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0251155  Sterimol/B1: 2.44765  Sterimol/B2: 3.0354  Sterimol/B3: 3.0359
  Sterimol/B4: 4.31374  Sterimol/L: 17.3187 
 
 Surface and Volume Properties
  Accessible surface: 460.382  Positive charged surface: 324.161  Negative charged surface: 136.22  Volume: 203.125
  Hydrophobic surface: 313.692  Hydrophilic surface: 146.69
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.